CID 65663

Aloxistatin

Structural Information

Molecular Formula
C17H30N2O5
SMILES
CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
InChI
InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
InChIKey
SRVFFFJZQVENJC-IHRRRGAJSA-N
Compound name
ethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

171
References

13527
Patents

342.21548 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22276 182.7
[M+Na]+ 365.20470 186.3
[M-H]- 341.20820 186.9
[M+NH4]+ 360.24930 189.8
[M+K]+ 381.17864 185.4
[M+H-H2O]+ 325.21274 175.4
[M+HCOO]- 387.21368 200.4
[M+CH3COO]- 401.22933 222.4
[M+Na-2H]- 363.19015 179.1
[M]+ 342.21493 190.1
[M]- 342.21603 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe